2WJP
CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 |
| Unit cell lengths | 65.917, 65.917, 136.063 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.630 - 1.600 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uag |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.373 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.620 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 76321 | |
| <I/σ(I)> | 19.95 | 2.8 |
| Completeness [%] | 92.5 | 78.8 |
| Redundancy | 4.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.8 M (NH4)2SO4, 7% PEG 400, 100 MM NACL, 100 MM HEPES, PH 7.5 |
